7-ethylsulfonyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 7-ethylsulfonyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 7-ethylsulfonyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 7-ethylsulfonyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 7-ethylsulfonyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 7-esyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C19H16FN3O3S MolecularWeight: 385.412043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3C4=CC=C(C=C4)F)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3C4=CC=C(C=C4)F)C

InChI

InChI=1S/C19H16FN3O3S/c1-3-27(24,25)15-8-9-18-17(10-15)21-11-16-12(2)22-23(19(16)26-18)14-6-4-13(20)5-7-14/h4-11H,3H2,1-2H3